SCHEMBL1366033

SCHEMBL1366033

COc1ccc(C=CC(=O)CC(=O)c2cc3c(OC)cc(OC)cc3sc2=O)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 2/20 0.53
BACE1 P56817 5/20 0.49
MAPT P10636 6/20 0.46
ABCG2 Q9UNQ0 5/20 0.46
TNFRSF1A P19438 1/20 0.46
TOP2A P11388 3/20 0.45
NFE2L2 Q16236 2/20 0.44
APP P05067 5/20 0.44
CYP2D6 P10635 2/20 0.43
CYP2C9 P11712 2/20 0.43
TSHR P16473 2/20 0.43
HSD17B10 Q99714 2/20 0.43
ALOX5 P09917 2/20 0.43
NFKB1 P19838 2/20 0.43
STAT3 P40763 2/20 0.43
NFKB2 Q00653 2/20 0.43
RELA Q04206 2/20 0.43
ABCB1 P08183 2/20 0.43
AKR1B1 P15121 2/20 0.43
MAOA P21397 2/20 0.43

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1368341 1.00 GSK3B (0.53) GSK3BBACE1MAPTABCG2TNFRSF1A
SCHEMBL1366032 1.00 GSK3B (0.53) GSK3BBACE1MAPTABCG2TNFRSF1A
SCHEMBL1369151 0.89 GSK3B (0.52) GSK3BBACE1MAPTABCG2TNFRSF1A
SCHEMBL1367386 0.89 GSK3B (0.52) GSK3BBACE1MAPTABCG2TNFRSF1A
SCHEMBL1367389 0.89 GSK3B (0.52) GSK3BBACE1MAPTABCG2TNFRSF1A
SCHEMBL1367943 0.86 ABCG2 (0.60) BACE1MAPTABCG2TNFRSF1AAPP
SCHEMBL1367706 0.86 ABCG2 (0.60) BACE1MAPTABCG2TNFRSF1AAPP
SCHEMBL1367704 0.86 ABCG2 (0.60) BACE1MAPTABCG2TNFRSF1AAPP
SCHEMBL1368220 0.85 GSK3B (0.58) GSK3BBACE1MAPTABCG2TNFRSF1A
SCHEMBL1368264 0.85 GSK3B (0.58) GSK3BBACE1MAPTABCG2TNFRSF1A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090275650-A1 3-Acyl coumarins, thiochromones and quinolones and therapeutic uses thereof TEMPLE UNIVERSITY- OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2009-11-05 US claimed
WO-2006132947-A2 3-ACYL COUMARINS, THIOCHROMONES AND QUINOLONES AND THERAPEUTIC USES THEREOF TEMPLE UNIVERSITY- OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2006-12-14 WO claimed
US-8067461-B2 3-acyl coumarins, thiochromones and quinolones and therapeutic uses thereof TEMPLE UNIVERSITY-OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2011-11-29 US disclosed
US-20090275650-A1 3-Acyl coumarins, thiochromones and quinolones and therapeutic uses thereof TEMPLE UNIVERSITY- OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2009-11-05 US disclosed
WO-2006132947-A2 3-ACYL COUMARINS, THIOCHROMONES AND QUINOLONES AND THERAPEUTIC USES THEREOF TEMPLE UNIVERSITY- OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2006-12-14 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090275650-A1 3-Acyl coumarins, thiochromones and quinolones and therapeutic uses thereof NQO2, NQO1, HCCS GSK3B 4183/4885BACE1 4687/4885MAPT 4718/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.